Park Joonho, Yang Heok, Park K-S, Lee Eok-Kyun
Department of Chemistry, School of Molecular Science, Korea Advanced Institute of Science and Technology, Daejeon 305-701, Korea.
J Chem Phys. 2009 Jun 7;130(21):214103. doi: 10.1063/1.3138776.
Using a nonequilibrium density functional calculation, we investigated the electronic transport properties and fundamental mechanism of spin polarization as a function of the location of impurities from the center to an edge of a graphene nanoribbon device (GND) with zigzag edges. A center-located impurity enables both edges to be enhanced with respect to their spin transports whereas an edge-located impurity results in only the opposite edge channel being dominant. In the case of a center-located impurity, the ferromagnetic ground state induces new spin states near the Fermi level responsible for the spin-polarized current in the GND. We argue that the spin-polarized current can flow through the edge states induced by a nonmagnetic impurity around the Fermi level, especially on a GND with a center-located impurity.
利用非平衡密度泛函计算,我们研究了具有锯齿形边缘的石墨烯纳米带器件(GND)中,作为杂质从中心到边缘位置函数的电子输运性质和自旋极化的基本机制。位于中心的杂质使两个边缘的自旋输运都得到增强,而位于边缘的杂质仅导致相对的边缘通道占主导。在位于中心的杂质情况下,铁磁基态在费米能级附近诱导出新的自旋态,这些自旋态导致了GND中的自旋极化电流。我们认为,自旋极化电流可以通过费米能级附近非磁性杂质诱导的边缘态流动,特别是在具有位于中心杂质的GND上。